SCHEMBL27429842

SCHEMBL27429842

NCCN1C(=O)c2ccc(S(=O)(=O)O)c3c(N)c(S(=O)(=O)O)cc(c23)C1=O.[KH].[KH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 3/20 0.43
▸ HEXB P07686 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CLTC Q00610 2/20 0.37
▸ HDAC3 O15379 5/20 0.35
▸ HDAC4 P56524 5/20 0.35
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC7 Q8WUI4 5/20 0.35
▸ HDAC2 Q92769 5/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27404612 0.79 CLTC (0.39) HEXAHEXBMEN1ALDH1A1RECQL
SCHEMBL21404284 0.78 CLTC (0.40) HEXAHEXBMEN1ALDH1A1RECQL
Ethylenediamine SCHEMBL21957845 0.77 CLTC (0.39) HEXAHEXBMEN1ALDH1A1RECQL
SCHEMBL14636147 0.71 CLTC (0.63) KDM4EMEN1RGS12ALDH1A1LMNA
SCHEMBL14636649 0.71 CLTC (0.57) HEXAHEXBKDM4EMEN1RGS12
SCHEMBL27851603 0.69 NPC1 (0.42) KDM4EMEN1NPC1ALDH1A1HTT
SCHEMBL20506114 0.69 HEXA (0.50) HEXAHEXBMEN1RECQLRAB9A
SCHEMBL14827754 0.68 TERT (0.62) HEXAHEXBKDM4EMEN1RGS12
SCHEMBL14635686 0.68 CLTC (0.76) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL14023201 0.65 KDM4E (0.55) HEXAHEXBKDM4EMEN1RGS12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1104331-A Method for detection of sulfides NALCO CHEMICAL CO (US) 1995-06-28 — — CN claimed
CN-1104331-A Method for detection of sulfides NALCO CHEMICAL CO (US) 1995-06-28 — — CN disclosed
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